5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H23F4N3O5 — CID 166487155

IUPAC5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCC3COCC(CN4CC(F)C4)O3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H23F4N3O5/c23-13-6-29(7-13)8-15-9-32-10-16(34-15)11-33-14-3-1-12(2-4-14)17-5-18(20(27)30)21(31)28-19(17)22(24,25)26/h1-5,13,15-16H,6-11H2,(H2,27,30)(H,28,31)
InChIKeyZKJPZLSCPWPGPS-UHFFFAOYSA-N
MW485.43 g/mol
LogP1.98
Rot. Bonds7

About 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487155) has the molecular formula C22H23F4N3O5 and a molecular weight of 485.43 g/mol. Its IUPAC name is 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487155
Molecular FormulaC22H23F4N3O5
Molecular Weight485.43 g/mol
Exact Mass485.16
IUPAC Name5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCC3COCC(CN4CC(F)C4)O3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H23F4N3O5/c23-13-6-29(7-13)8-15-9-32-10-16(34-15)11-33-14-3-1-12(2-4-14)17-5-18(20(27)30)21(31)28-19(17)22(24,25)26/h1-5,13,15-16H,6-11H2,(H2,27,30)(H,28,31)
InChIKeyZKJPZLSCPWPGPS-UHFFFAOYSA-N
XLogP1.98
TPSA106.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[[(2S,6S)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486804
5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487006
5-[4-[[(1R,3R,6S)-7,7-difluoro-2,5-dioxabicyclo[4.1.0]heptan-3-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487398
5-[4-(oxan-4-ylmethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487366
5-[4-[[(2S)-6,6-bis(methoxymethyl)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487225
5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486935
5-[4-[[(2S,6R)-6-methyl-6-(methylsulfonylmethyl)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487216
5-[4-[[(1S,3S,6R)-7,7-difluoro-1-methyl-2,5-dioxabicyclo[4.1.0]heptan-3-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486947
5-[4-[[(2S,6R)-6-(2-fluoroethoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487418
tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166487209
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486899
2-oxo-5-[4-(thiophen-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486981

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487155) is 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(OCC3COCC(CN4CC(F)C4)O3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZKJPZLSCPWPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O5/c23-13-6-29(7-13)8-15-9-32-10-16(34-15)11-33-14-3-1-12(2-4-14)17-5-18(20(27)30)21(31)28-19(17)22(24,25)26/h1-5,13,15-16H,6-11H2,(H2,27,30)(H,28,31).
What are the key properties of 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[6-[(3-fluoroazetidin-1-yl)methyl]-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).